CBKinase1_004045
TL;DR: CBKinase1_004045 (CAS 694453-89-9) is a chemical compound with molecular formula C19H19FN4O3S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004045, CBKinase1_016445, BRD-K79524549-001-01-6, N-(2,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H19FN4O3S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 3.3692 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.11618 |
| Heavy Atoms | 28 |
| Complexity | 975.8101 |
Chemical Identifiers
| CAS Number | 694453-89-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)F |
Product Overview
CBKinase1_004045 (CAS 694453-89-9), with molecular formula C19H19FN4O3S and molecular weight 402.12 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004045
Property Insights of CBKinase1_004045
The XLogP value of 3.3692 indicates that CBKinase1_004045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004045. Following Lipinski's Rule of Five, CBKinase1_004045 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004045?
The CAS number of CBKinase1_004045 is 694453-89-9.
What is the molecular formula of CBKinase1_004045?
The molecular formula of CBKinase1_004045 is C19H19FN4O3S.
What is the molecular weight of CBKinase1_004045?
The molecular weight of CBKinase1_004045 is 402.12 g/mol.
Where can I buy CBKinase1_004045?
You can request a quote for CBKinase1_004045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004045?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.